%chk=000154612.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154612

0 1
 S    4.307000       1.074200      0.7113000    
 O   0.1344000       2.536100     -0.1407000    
 O    4.163000      -2.512300     -0.7154000    
 O    5.810700      -1.321000      0.1123000    
 N  -0.4845000      0.2843000     -3.3500001E-02
 N    4.593600      -1.439700     -0.2051000    
 C   -4.016500     -0.7757000     -0.1884000    
 C   -4.819300      -2.032100     -0.1574000    
 C   -1.875500      0.3418000     -0.1251000    
 C   -2.625900     -0.8336000     -9.6400000E-02
 C   -4.656800      0.4577000     -0.3090000    
 C   -2.515700       1.575200     -0.2457000    
 C   -3.906400       1.633100     -0.3375000    
 C    1.844100      0.9549000      0.1132000    
 C   -5.221200      -2.429800       1.260600    
 C   0.4339000       1.349400     -4.4700000E-02
 C    2.363800     -0.2961000     -0.2614000    
 C    2.759200       1.804300      0.6518000    
 C    3.712100     -0.3706000      1.1000000E-02
 H   -5.720900      -1.915600     -0.7717000    
 H   -4.252000      -2.850700     -0.6178000    
 H   -2.128200      -1.796200     -6.0000003E-04
 H   -5.739700      0.5165000     -0.3795000    
 H   -2.010800       2.529800     -0.2754000    
 H  -0.1131000     -0.6556000      7.8500003E-02
 H   -4.406300       2.593000     -0.4308000    
 H   -4.340300      -2.597800       1.889400    
 H   -5.807300      -3.354000       1.241900    
 H   -5.828800      -1.650700       1.733300    
 H    1.809600      -1.107000     -0.7177000    
 H    2.621600       2.812000       1.019200    


%chk=000154612-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154612

0 1
S 4.537211 1.236440 0.086678
O 0.157273 2.633316 0.102384
O 4.043465 -2.737704 0.028135
O 5.920080 -1.413044 0.072693
N -0.486618 0.375345 -0.058580
N 4.636526 -1.586816 0.051411
C -4.046005 -0.758089 -0.233529
C -4.813710 -2.070662 -0.308183
C -1.910344 0.472836 -0.085396
C -2.634392 -0.744927 -0.197312
C -4.734780 0.481561 -0.160055
C -2.605596 1.707652 -0.011012
C -4.016587 1.691271 -0.050486
C 1.886305 0.953890 0.043698
C -5.277247 -2.563159 1.089621
C 0.449438 1.399435 0.033174
C 2.414117 -0.386140 0.032870
C 2.896270 1.919085 0.073251
C 3.800997 -0.408902 0.052881
H -5.701821 -1.945411 -0.956775
H -4.184965 -2.851877 -0.776320
H -2.089799 -1.698232 -0.259510
H -5.830665 0.493199 -0.194701
H -2.046906 2.640856 0.070234
H -0.125347 -0.578501 -0.122631
H -4.558102 2.642380 0.001091
H -4.412119 -2.730498 1.756343
H -5.837973 -3.511980 1.006136
H -5.933419 -1.817285 1.573398
H 1.844455 -1.318010 0.019261
H 2.744060 2.997771 0.089930


